3-amino-1,7a-dihydroindol-2-one

C8H8N2O — CID 69177347

IUPAC3-amino-1,7a-dihydroindol-2-one
SMILESNC1=C2C=CC=CC2NC1=O
InChIInChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,6H,9H2,(H,10,11)
InChIKeyFACSIBPJBNURHX-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.18
Rot. Bonds

About 3-amino-1,7a-dihydroindol-2-one

3-amino-1,7a-dihydroindol-2-one (PubChem CID 69177347) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-amino-1,7a-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-1,7a-dihydroindol-2-one
PubChem CID69177347
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-amino-1,7a-dihydroindol-2-one
SMILESNC1=C2C=CC=CC2NC1=O
InChIInChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,6H,9H2,(H,10,11)
InChIKeyFACSIBPJBNURHX-UHFFFAOYSA-N
XLogP-0.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1,7a-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,7a-dihydroindol-2-one?
The IUPAC name of 3-amino-1,7a-dihydroindol-2-one (CID 69177347) is 3-amino-1,7a-dihydroindol-2-one.
What is the SMILES notation for 3-amino-1,7a-dihydroindol-2-one?
The canonical SMILES for 3-amino-1,7a-dihydroindol-2-one is NC1=C2C=CC=CC2NC1=O.
What is the InChIKey of 3-amino-1,7a-dihydroindol-2-one?
The InChIKey is FACSIBPJBNURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,6H,9H2,(H,10,11).
What are the key properties of 3-amino-1,7a-dihydroindol-2-one?
3-amino-1,7a-dihydroindol-2-one has a molecular weight of 148.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,7a-dihydroindol-2-one is sourced from PubChem (CID 69177347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).